Name: Guamecycline
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212716297
Cas No:16545-11-2
常用名:Guamecycline
别名:Guamecyclinum, Guameciclina
IUPAC:(4S,4aS,5aS,6S,12aS)-N-{[4-(carbamimidamidomethanimidoyl)piperazin-1-yl]methyl}-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
IUPAC:(4S,4aS,5aS,6S,12aS)-N-{[4-(carbamimidamidomethanimidoyl)piperazin-1-yl]methyl}-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
InChI key:DIRJDIBCAHCCFL-AQFAATAFSA-N

分子式:C29H38N8O8
分子量:626.671
氢键供体数 (HBD):10
氢键受体数 (HBA):15
LogP:-5.595841
SMILES:CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(=O)NCN2CCN(CC2)C(=N)NC(N)=N)=C1O)C(=O)c1c(O)cccc1[C@@]3(C)O |c:32,t:7|
SMILES:CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(=O)NCN2CCN(CC2)C(=N)NC(N)=N)=C1O)C(=O)c1c(O)cccc1[C@@]3(C)O |c:32,t:7|

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